Geometry & MOs

Info

ID:	242987
PubChem CID:	99214837
Reduced:	FCl2N2O3C19H19 (1)
Stoich.:	AB2C2D3E19F19 (1)
Weight, g/mol:	439.283492
ΔH_f, kcal/mol:	-139.36
Dipole, Da:	1.89
IP(EA), eV:	-9.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1C(=O)NCCOC2=C(C(=CC=C2)Cl)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations